SCHEMBL14637852

SCHEMBL14637852

Cc1cc(C(F)=Cc2ccc(C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.47
▸ PTGS2 P35354 2/20 0.43
▸ PTGS1 P23219 5/20 0.41
▸ NQO2 P16083 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14637850 1.00 DHODH (0.47) DHODHPTGS2PTGS1NQO2DAO
SCHEMBL14653504 0.89 NPC1 (0.43) DHODHDAOHCAR2MEN1KMT2A
SCHEMBL15009567 0.89 NPC1 (0.43) DHODHDAOHCAR2MEN1KMT2A
SCHEMBL14638353 0.88 NR1H2 (0.40) DHODHDAOHCAR2NPC1
SCHEMBL14638354 0.88 NR1H2 (0.40) DHODHDAOHCAR2NPC1
SCHEMBL14653480 0.88 DAO (0.36) DHODHPTGS2PTGS1DAOHCAR2
SCHEMBL15009044 0.88 DAO (0.36) DHODHPTGS2PTGS1DAOHCAR2
SCHEMBL14637909 0.84 DAO (0.40) DAOHCAR2MEN1KMT2ANPC1
SCHEMBL14637910 0.84 DAO (0.40) DAOHCAR2MEN1KMT2ANPC1
SCHEMBL14638177 0.82 POLB (0.39) DHODHDAOHCAR2KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 — — EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A DHODH 584/4885PTGS2 453/4885PTGS1 264/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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